[CP2K-user] [CP2K:17867] Cholesky decompose failed: the matrix is not positive definite or ill-conditioned.

[Andy Wang]

Dear all,

I have a structure which has been optimized by Gaussian. Then I want to use 
CP2K to scan a pair of dihedrals. I am using M06 with all electron 
potential. The basis set is aug-cc-pvtz. Is the error related to this large 
basis set?

Thanks in advance for any suggestions.

Bests,
Andy


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